UCSF

ZINC25150064

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 33 Yes

Popular Name: N-(5-chloro-2-methoxy-phenyl)-3-(2,8-dicyclopropyl-5,7-dioxo-pyrimido[5,6-e]pyrimidin-4-yl)sulfanyl- N-(5-chloro-2-methoxy-phenyl)-3-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.37 9.43 -14.45 2 9 0 119 487.969 8 ↓
Mid Mid (pH 6-8) 2.82 7.64 -52.45 1 9 -1 122 486.961 8 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )